N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

C13H16F3N3O2 — CID 60999621

IUPACN-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN(C)C(=O)CNCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-19(2)11(20)8-17-7-9-4-3-5-10(6-9)18-12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyFQEQVPACTKTXAL-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.37
Rot. Bonds5

About N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 60999621) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID60999621
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN(C)C(=O)CNCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-19(2)11(20)8-17-7-9-4-3-5-10(6-9)18-12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyFQEQVPACTKTXAL-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
CID 106187310
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
CID 82996693
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (CID 60999621) is N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is CN(C)C(=O)CNCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is FQEQVPACTKTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-19(2)11(20)8-17-7-9-4-3-5-10(6-9)18-12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 303.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 60999621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).